Vitas-M small molecule compound
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-1,2-benzothiazol-3-amine 1,1-dioxide
Catalog ID
STL287100
SMILES COc1ccc(cc1OC)CCNC1=NS(=O)(=O)c2c1ccc(c2)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C17H17N3O6S MW 391.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O6S/c1-25-14-6-3-11(9-15(14)26-2)7-8-18-17-13-5-4-12(20(21)22)10-16(13)27(23,24)19-17/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)InChIKey
KAKLHQPZDLCBJJ-UHFFFAOYSA-NSynonyms
521936-62-9521936629
COC1=C(C=C(C=C1)CCNC2=NS(=O)(=O)C3=C2C=CC(=C3)(N+)(=O)(O))OC
COc1ccc(cc1OC)CCNC1=NS(=O)(=O)c2c1ccc(c2)(N+)(=O)(O)
InChI=1SC17H17N3O6Sc125146311(915(14)262)781817135412(20(21)22)1016(13)27(2324)1917h36910H78H212H3(H1819)
MFCD00843666
N(2(34dimethoxyphenyl)ethyl)6nitro11dioxo12benzothiazol3amine
N(2(34dimethoxyphenyl)ethyl)6nitro12benzothiazol3amine11dioxide
ZINC000095470268
ZINC95470268
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